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Physical Chemistry Chemical Physics : PCCP|September 20, 2024
Dynamical electron correlation and the chemical bond. III. Covalent bonds in the A<sub>2</sub> molecules (A = C-F)Thom H Dunning, Lu T XuThe Journal of Chemical Physics|July 8, 2022
Dynamical electron correlation and the chemical bond. I. Covalent bonds in AH and AF (A = B-F)Lu T Xu, Thom H DunningThe Journal of Physical Chemistry Letters|July 28, 2021
Nature of the Bonding in the Bifluoride Anion, FHF<sup></sup>Thom H Dunning, Lu T XuJournal of Computational Chemistry|November 15, 2023
Electronic structure of Li<sub>1,2,3</sub> <sup>+,0,-</sup> and nature of the bonding in Li<sub>2,3</sub> <sup>+,0,</sup>Thom H Dunning, Lu T XuThe Journal of Physical Chemistry. A|July 27, 2024
Dynamical Electron Correlation and the Chemical Bond. IV. Covalent Bonds in A<sub>2</sub> Molecules (A = N-As and F-Br)Thom H Dunning, Lu T XuThe Journal of Physical Chemistry. A|December 12, 2019
Orbital Hybridization in Modern Valence Bond Wave Functions: Methane, Ethylene, and AcetyleneLu T Xu, Thom H DunningThe Journal of Physical Chemistry. A|June 15, 2016
Variations in the Nature of Triple Bonds: The N2, HCN, and HC2H SeriesLu T Xu, Thom H DunningJournal of Chemical Theory and Computation|November 19, 2015
Insights into the Perplexing Nature of the Bonding in C2 from Generalized Valence Bond CalculationsLu T Xu, Thom H DunningThe Journal of Chemical Physics|September 23, 2020
A cautionary tale: Problems in the valence-CASSCF description of the ground state (X<sup>1</sup>Σ<sup>+</sup>) of BFLu T Xu, Thom H DunningThe Journal of Physical Chemistry. A|January 29, 2015
Generalized valence bond description of chalcogen-nitrogen compounds. I. NS, F(NS), and H(NS)Tyler Y Takeshita, Thom H DunningPageof 6